⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7861860 | 0.87 | — | — | |
| SCHEMBL7860139 | 0.86 | FFAR1 (0.34) | — | |
| SCHEMBL7857863 | 0.85 | BACE1 (0.34) | — | |
| SCHEMBL7858879 | 0.84 | FFAR1 (0.30) | — | |
| SCHEMBL6141722 | 0.83 | ACACB (0.32) | — | |
| SCHEMBL7857835 | 0.82 | — | — | |
| SCHEMBL6142025 | 0.82 | REN (0.31) | — | |
| SCHEMBL7851940 | 0.80 | FFAR1 (0.34) | — | |
| SCHEMBL7851804 | 0.80 | GRIA1 (0.35) | — | |
| SCHEMBL7859063 | 0.80 | FFAR1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333080-B1 | HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE | CHISSO CORPORATION (JP) | 2001-12-25 | — | — | US | disclosed |
| EP-0930286-A1 | LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT | CHISSO CORPORATION (JP) | 1999-07-21 | — | — | EP | disclosed |